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LoadStructure

megane-viewer

megane-viewer / LoadStructure

Class: LoadStructure

Defined in: pipeline/builder.ts:130

Load a molecular structure file.

Supported formats: PDB, GRO, XYZ, MOL, LAMMPS data.

Ports: out.particle — atom data out.traj — trajectory channel out.cell — simulation cell

Extends​

  • PipelineNode

Constructors​

Constructor​

new LoadStructure(path, __namedParameters?): LoadStructure

Defined in: pipeline/builder.ts:144

Parameters​

path​

string

__namedParameters?​
edits?​

EditOp[] = []

Returns​

LoadStructure

Overrides​

PipelineNode.constructor

Properties​

_id​

_id: string | null = null

Defined in: pipeline/builder.ts:102

Inherited from​

PipelineNode._id

_inpPorts​

protected readonly _inpPorts: Record<string, string> = {}

Defined in: pipeline/builder.ts:133

Overrides​

PipelineNode._inpPorts

_outPorts​

protected readonly _outPorts: object

Defined in: pipeline/builder.ts:132

cell​

cell: string = "cell"

particle​

particle: string = "particle"

traj​

traj: string = "trajectory"

Overrides​

PipelineNode._outPorts

edits​

edits: EditOp[]

Defined in: pipeline/builder.ts:142

Structure edits replayed on the file as loaded (megane Builder's history): add / delete / move atoms, change elements, add / delete bonds, place a fragment, set the cell. Atom refs are indices into the file's atoms (numbers) or ids of atoms an earlier op created (strings). The node then emits the edited structure.

nodeType​

readonly nodeType: "load_structure" = "load_structure"

Defined in: pipeline/builder.ts:131

Overrides​

PipelineNode.nodeType

path​

path: string

Defined in: pipeline/builder.ts:145

Accessors​

inp​

Get Signature​

get inp(): PortAccessor

Defined in: pipeline/builder.ts:110

Input port namespace. Access ports via node.inp.portName

Returns​

PortAccessor

Inherited from​

PipelineNode.inp

out​

Get Signature​

get out(): PortAccessor

Defined in: pipeline/builder.ts:105

Output port namespace. Access ports via node.out.portName

Returns​

PortAccessor

Inherited from​

PipelineNode.out

Methods​

_toSerializedParams()​

_toSerializedParams(): object

Defined in: pipeline/builder.ts:152

Serialize node parameters to the SerializedPipeline v3 node dict.

Returns​

object

edits?​

optional edits?: EditOp[]

fileName​

fileName: string

fileUrl​

fileUrl: string

hasCell​

hasCell: boolean = false

hasTrajectory​

hasTrajectory: boolean = false

type​

type: string

Overrides​

PipelineNode._toSerializedParams